Chimatica aim to speed up a process that has become a distinct stumbling block in the drug discovery process. So much so that developers' concerted efforts have spurred the development of increasingly rapid, selective and reliable high-throughput screening assays to be applied in the early phase of drug discovery.
Typically, such assays allow screening of large numbers of compounds in an automated fashion to identify those that show an activity, either as agonists or as antagonists, on a defined biological target.
A new in silico drug design company, Chimatica's approach uses logically driven, high-throughput and reproducible computational chemistry experiments to generate high quality targeted libraries with maximum structural diversity.
Compounds are highly specific, information-enriched, with maximum chemical diversity and the collection includes the major therapeutic receptor target classes, which include compounds such as kinases, GPCRs and ion-channels.
Access to high-powered large-scale computing facilities enables Chimatica to maximise the potential of in silico drug discovery and design by extending and refining results to create therapeutic screening palettes.
Chimatica also supplies general representative sets for high throughput testing which can be designed to find the maximum number of hits for a specific biological target.
Selected from a global pool of over three million commercially accessible molecules, the company's objective approach ensures a high hit-to-lead ratio to give the maximum chance of successful discovery.
In addition, state-of-the-art ADME software is used to profile each dataset in terms of lead like properties as well as drug like properties, including Lipinski Rule of 5, clogP, clogSaq, blood-brain barrier and human intestinal absorption.
Chemical and physical properties such as the number of hydrogen bond donors/acceptors, basic nitrogens, the number of acidic centres and molecular weight and size (like Vx) are also considered.